1,3,3-Trimethyl-2-benzofuran-1-ol
TL;DR: 1,3,3-Trimethyl-2-benzofuran-1-ol (CAS 1521-94-4) is a chemical compound with molecular formula C11H14O2 and molecular weight 178.09938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3,3-trimethyl-2-benzofuran-1-ol
Also Known As: 1,3,3-trimethyl-2-benzofuran-1-ol, 1,3,3-Trimethyl-1-phthalanol, 1-Phthalanol, 1,3,3-trimethyl-, 1,3,3-Trimethyl-1,3-dihydroisobenzofuran-1-ol, phthalan, 1-hydroxy-1,3,3-trimethyl-
Technical Specifications
| Molecular Formula | C11H14O2 |
| Molecular Weight | 178.09938 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 178.09938 Da |
| Heavy Atoms | 13 |
| Complexity | 212.0 |
| SMILES | CC1(C2=CC=CC=C2C(O1)(C)O)C |
| InChIKey | WWCURPMSGMIINM-UHFFFAOYSA-N |
Chemical Property Profile of 1,3,3-Trimethyl-2-benzofuran-1-ol
Property Insights of 1,3,3-Trimethyl-2-benzofuran-1-ol
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,3-Trimethyl-2-benzofuran-1-ol. With a topological polar surface area (TPSA) of 29.5 Ų, 1,3,3-Trimethyl-2-benzofuran-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,3-Trimethyl-2-benzofuran-1-ol has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,3,3-Trimethyl-2-benzofuran-1-ol?
The CAS number of 1,3,3-Trimethyl-2-benzofuran-1-ol is 1521-94-4.
What is the molecular formula of 1,3,3-Trimethyl-2-benzofuran-1-ol?
The molecular formula of 1,3,3-Trimethyl-2-benzofuran-1-ol is C11H14O2.
What is the molecular weight of 1,3,3-Trimethyl-2-benzofuran-1-ol?
The molecular weight of 1,3,3-Trimethyl-2-benzofuran-1-ol is 178.09938 g/mol.
Where can I buy 1,3,3-Trimethyl-2-benzofuran-1-ol?
You can request a quote for 1,3,3-Trimethyl-2-benzofuran-1-ol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3,3-Trimethyl-2-benzofuran-1-ol?
Yes, CoreyChem provides custom synthesis services for 1,3,3-Trimethyl-2-benzofuran-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.